Title: Exploring the Structural Stability of a Potential Antifungal Peptide Through Computational Analysis
Volume: 16
Issue: 11
Author(s): R. Rajasekaran and Rao Sethumadhavan
Affiliation:
Keywords:
NK-Lysin, stabilization centers, total energy, cation-π, intra-molecular interactions, free energy change
Abstract: We analyzed 27 antifungal peptides (AFPs) to understand their stability by various parameters like, stabilization centers, GROMOS, OPLS and FOLDEF force fields. Subsequently, we propose that AFP, NK-Lysin could be considered a potential candidate and also could act as a template for designing the therapeutic peptide drug against pathogenic fungi.
